%mem=100GB
%nprocshared=24
#P B3LYP/Def2TZVPP SCRF(SMD,Solvent=THF) EmpiricalDispersion=GD3BJ 

opt of Geom

1,3 
Ni    1.5618835689    -1.496919073    0.0006749183
C    -0.3046964616    0.6861317425    0.014322112
C    1.8757897979    1.4960773313    0.0706593169
C    -0.8088660057    1.9799027216    -0.0186523547
C    1.4305015371    2.8136473166    0.0449429725
H    2.9316609415    1.250496208    0.1008219429
C    0.0586926378    3.085380024    -0.003558997
H    -1.8790336832    2.1346747654    -0.0625888044
H    2.1647895068    3.6080929206    0.0592003587
C    -1.1430090983    -0.5361614615    0.0033471341
C    -2.5315205521    -0.5234860267    0.0202556452
C    -3.2603048873    -1.7243164018    0.0077389373
H    -3.0546791644    0.4236623316    0.045919945
C    -1.1308409214    -2.8606335253    -0.0317242339
C    -2.5204554393    -2.9119165075    -0.0204653378
H    -0.5344039818    -3.7673240061    -0.0500332756
H    -3.0020816261    -3.8806556479    -0.0312212647
C    3.4971857413    -1.6212222626    0.0077710387
C    4.2645470673    -1.0917215619    -1.048635814
C    4.1983112016    -2.220892386    1.0724092876
C    5.6609771841    -1.1611420807    -1.0489472027
C    5.5953099726    -2.2943054779    1.0825183303
C    6.3298052999    -1.7636819561    0.0197907673
H    6.2269232204    -0.7434508655    -1.8783260581
H    6.1091887694    -2.7639515162    1.9179715251
N    1.0309678042    0.4600585641    0.0543847846
N    -0.4537105816    -1.7055964269    -0.0193576033
H    3.6519480602    -2.6409700659    1.9163013959
H    7.4154342079    -1.8170673386    0.0250862776
H    3.768927194    -0.6062277309    -1.8888976134
C    -0.5109183628    4.503345092    -0.0435826818
C    -4.7883883718    -1.6888463596    0.0248444504
C    -1.3321694131    4.6735716436    -1.3404848902
H    -0.7043394457    4.5209979082    -2.2255942529
H    -2.1705434265    3.9708450291    -1.3911643837
H    -1.7428043081    5.6884138031    -1.3844094954
C    -1.427680473    4.7086544888    1.1821417217
H    -2.2638605318    4.0018738371    1.1929897405
H    -0.8671782028    4.5881732369    2.116048903
H    -1.8449434215    5.721525775    1.1629624192
C    0.5935803932    5.5707866637    -0.0171525505
H    1.1980356443    5.5091012582    0.8947886602
H    1.2617027815    5.4866332565    -0.8816543591
H    0.1356951695    6.5648564001    -0.0463057236
C    -5.2825209527    -0.9272191515    -1.2249271654
H    -4.9173053673    0.1047433721    -1.2471883159
H    -4.9545222767    -1.4257065052    -2.1440274283
H    -6.3777005539    -0.8951185701    -1.2260514259
C    -5.2573197275    -0.9525340098    1.2990660257
H    -4.9133083849    -1.4705813791    2.2013504942
H    -4.8901611365    0.0784483099    1.3361997068
H    -6.3522294459    -0.9190077551    1.3210255029
C    -5.3993866352    -3.0979246792    0.0174148818
H    -5.1185438815    -3.6595625142    -0.8806491264
H    -5.0968663591    -3.6773030103    0.8969438949
H    -6.4912546205    -3.018060747    0.0313252671



